Organooxygen compounds
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4'-Carboxybenzo-15-crown 5-Ether 98.0+%, TCI America™
CAS: 56683-55-7 Molecular Formula: C15H20O7 Molecular Weight (g/mol): 312.318 MDL Number: MFCD00143276 InChI Key: FBNLTQGIRRAGRY-UHFFFAOYSA-N Synonym: (Benzo-15-crown 5-Ether)-4′C-carboxylic Acid, 2,3-(4-Carboxybenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene PubChem CID: 2724800 IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid SMILES: C1COCCOC2=C(C=C(C=C2)C(=O)O)OCCOCCO1
| PubChem CID | 2724800 |
|---|---|
| CAS | 56683-55-7 |
| Molecular Weight (g/mol) | 312.318 |
| MDL Number | MFCD00143276 |
| SMILES | C1COCCOC2=C(C=C(C=C2)C(=O)O)OCCOCCO1 |
| Synonym | (Benzo-15-crown 5-Ether)-4′C-carboxylic Acid, 2,3-(4-Carboxybenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene |
| IUPAC Name | 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid |
| InChI Key | FBNLTQGIRRAGRY-UHFFFAOYSA-N |
| Molecular Formula | C15H20O7 |
Difluoromethyl 2,2,3,3-Tetrafluoropropyl Ether 98.0+%, TCI America™
CAS: 35042-99-0 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.07 MDL Number: MFCD00236119 InChI Key: PCTQNZRJAGLDPD-UHFFFAOYSA-N PubChem CID: 2737027 IUPAC Name: 3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane SMILES: FC(F)OCC(F)(F)C(F)F
| PubChem CID | 2737027 |
|---|---|
| CAS | 35042-99-0 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD00236119 |
| SMILES | FC(F)OCC(F)(F)C(F)F |
| IUPAC Name | 3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane |
| InChI Key | PCTQNZRJAGLDPD-UHFFFAOYSA-N |
| Molecular Formula | C4H4F6O |
1-Methylpyrazole-5-carboxaldehyde 95.0+%, TCI America™
CAS: 27258-33-9 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD03419801 InChI Key: RAJRANFZSWDUJZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-5-carbaldehyde,2-methyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-1h-pyrazole,1-methylpyrazole-5-carboxaldehyde,5-formyl-1-methylpyrazole,1-methylpyrazole-5-carbaldehyde,1h-pyrazole-5-carboxaldehyde, 1-methyl,1-methyl-1h-pyrazole-5-carboxaldehyde,pubchem16289,acmc-209gw7 PubChem CID: 7019414 IUPAC Name: 1-methyl-1H-pyrazole-5-carbaldehyde SMILES: CN1N=CC=C1C=O
| PubChem CID | 7019414 |
|---|---|
| CAS | 27258-33-9 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD03419801 |
| SMILES | CN1N=CC=C1C=O |
| Synonym | 1-methyl-1h-pyrazole-5-carbaldehyde,2-methyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-1h-pyrazole,1-methylpyrazole-5-carboxaldehyde,5-formyl-1-methylpyrazole,1-methylpyrazole-5-carbaldehyde,1h-pyrazole-5-carboxaldehyde, 1-methyl,1-methyl-1h-pyrazole-5-carboxaldehyde,pubchem16289,acmc-209gw7 |
| IUPAC Name | 1-methyl-1H-pyrazole-5-carbaldehyde |
| InChI Key | RAJRANFZSWDUJZ-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
5-Acetylsalicylamide 98.0+%, TCI America™
CAS: 40187-51-7 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00049222 InChI Key: LWAQTCWTCCNHJR-UHFFFAOYSA-N Synonym: 5-acetylsalicylamide,benzamide, 5-acetyl-2-hydroxy,5-acetyl-2-hydroxy-benzamide,5-acetyl salicylamide,acmc-1alb7,dsstox_cid_31525,dsstox_rid_97410,dsstox_gsid_57736,4-10-00-03635 beilstein handbook reference PubChem CID: 198212 IUPAC Name: 5-acetyl-2-hydroxybenzamide SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)N
| PubChem CID | 198212 |
|---|---|
| CAS | 40187-51-7 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00049222 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)N |
| Synonym | 5-acetylsalicylamide,benzamide, 5-acetyl-2-hydroxy,5-acetyl-2-hydroxy-benzamide,5-acetyl salicylamide,acmc-1alb7,dsstox_cid_31525,dsstox_rid_97410,dsstox_gsid_57736,4-10-00-03635 beilstein handbook reference |
| IUPAC Name | 5-acetyl-2-hydroxybenzamide |
| InChI Key | LWAQTCWTCCNHJR-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
2-Oxo-4-phenylbutyric Acid 98.0+%, TCI America™
CAS: 710-11-2 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00969471 InChI Key: PPKAIMDMNWBOKN-UHFFFAOYSA-N PubChem CID: 69732 IUPAC Name: 2-oxo-4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)C(=O)O
| PubChem CID | 69732 |
|---|---|
| CAS | 710-11-2 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00969471 |
| SMILES | C1=CC=C(C=C1)CCC(=O)C(=O)O |
| IUPAC Name | 2-oxo-4-phenylbutanoic acid |
| InChI Key | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4-Hydroxy-3,5-diiodobenzaldehyde 97.0+%, TCI America™
CAS: 1948-40-9 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.92 MDL Number: MFCD00014670 InChI Key: WHLUEIMENHLCMY-UHFFFAOYSA-N PubChem CID: 74760 IUPAC Name: 4-hydroxy-3,5-diiodobenzaldehyde SMILES: OC1=C(I)C=C(C=O)C=C1I
| PubChem CID | 74760 |
|---|---|
| CAS | 1948-40-9 |
| Molecular Weight (g/mol) | 373.92 |
| MDL Number | MFCD00014670 |
| SMILES | OC1=C(I)C=C(C=O)C=C1I |
| IUPAC Name | 4-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | WHLUEIMENHLCMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |
Diethyl Methylmalonate 98.0+%, TCI America™
CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC
| PubChem CID | 11857 |
|---|---|
| CAS | 609-08-5 |
| Molecular Weight (g/mol) | 174.196 |
| MDL Number | MFCD00009162 |
| SMILES | CCOC(=O)C(C)C(=O)OCC |
| Synonym | diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl |
| IUPAC Name | diethyl 2-methylpropanedioate |
| InChI Key | UPQZOUHVTJNGFK-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
3-Hydroxy-3-methyl-2-butanone 95.0+%, TCI America™
CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O
| PubChem CID | 8261 |
|---|---|
| CAS | 115-22-0 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00004460 |
| SMILES | CC(=O)C(C)(C)O |
| Synonym | 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone |
| IUPAC Name | 3-hydroxy-3-methylbutan-2-one |
| InChI Key | BNDRWEVUODOUDW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
3'-Methoxyphenacyl Bromide 98.0+%, TCI America™
CAS: 5000-65-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000199 InChI Key: IOOHBIFQNQQUFI-UHFFFAOYSA-N Synonym: 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide PubChem CID: 101294 IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone SMILES: COC1=CC=CC(=C1)C(=O)CBr
| PubChem CID | 101294 |
|---|---|
| CAS | 5000-65-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000199 |
| SMILES | COC1=CC=CC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide |
| IUPAC Name | 2-bromo-1-(3-methoxyphenyl)ethanone |
| InChI Key | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4,5-Dimethoxy-1-benzocyclobutenecarbonitrile 98.0+%, TCI America™
CAS: 35202-54-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD01846132 InChI Key: HJTHVTHXHHFXMJ-UHFFFAOYSA-N Synonym: 1-Cyano-4,5-dimethoxybenzocyclobutene, 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile PubChem CID: 290544 IUPAC Name: 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile SMILES: COC1=C(C=C2C(CC2=C1)C#N)OC
| PubChem CID | 290544 |
|---|---|
| CAS | 35202-54-1 |
| Molecular Weight (g/mol) | 189.214 |
| MDL Number | MFCD01846132 |
| SMILES | COC1=C(C=C2C(CC2=C1)C#N)OC |
| Synonym | 1-Cyano-4,5-dimethoxybenzocyclobutene, 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
| IUPAC Name | 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
| InChI Key | HJTHVTHXHHFXMJ-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
4'-Hydroxypropiophenone 98.0+%, TCI America™
CAS: 70-70-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002361 InChI Key: RARSHUDCJQSEFJ-UHFFFAOYSA-N Synonym: 4'-hydroxypropiophenone,paroxypropione,4-hydroxypropiophenone,1-4-hydroxyphenyl propan-1-one,mepal,paroxypropion,frenantol,frenohypon,p-hydroxypropiophenone,proxiphenon PubChem CID: 6271 ChEBI: CHEBI:32352 IUPAC Name: 1-(4-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)O
| PubChem CID | 6271 |
|---|---|
| CAS | 70-70-2 |
| Molecular Weight (g/mol) | 150.177 |
| ChEBI | CHEBI:32352 |
| MDL Number | MFCD00002361 |
| SMILES | CCC(=O)C1=CC=C(C=C1)O |
| Synonym | 4'-hydroxypropiophenone,paroxypropione,4-hydroxypropiophenone,1-4-hydroxyphenyl propan-1-one,mepal,paroxypropion,frenantol,frenohypon,p-hydroxypropiophenone,proxiphenon |
| IUPAC Name | 1-(4-hydroxyphenyl)propan-1-one |
| InChI Key | RARSHUDCJQSEFJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
(+)-2,3-O-Isopropylidene-L-threitol 97.0+%, TCI America™
CAS: 50622-09-8 Molecular Formula: C7H14O4 Molecular Weight (g/mol): 162.185 MDL Number: MFCD00063761 InChI Key: INVRLGIKFANLFP-WDSKDSINSA-N Synonym: +-2,3-o-isopropylidene-l-threitol,4s,5s-2,2-dimethyl-1,3-dioxolane-4,5-diyl dimethanol,2,3-o-isopropylidene-l-threitol,4s,5s-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl methanol,+-2,3,o-isopropylidene-l-threitol,pubchem19000,2,3-o-isoproylidene-l-threitol,1,3-dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4s,5s,2-o,3-o-isopropylidene-l-threitol,oi-2,3-o-isopropylidene-l-threitol PubChem CID: 785242 IUPAC Name: [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(OC(C(O1)CO)CO)C
| PubChem CID | 785242 |
|---|---|
| CAS | 50622-09-8 |
| Molecular Weight (g/mol) | 162.185 |
| MDL Number | MFCD00063761 |
| SMILES | CC1(OC(C(O1)CO)CO)C |
| Synonym | +-2,3-o-isopropylidene-l-threitol,4s,5s-2,2-dimethyl-1,3-dioxolane-4,5-diyl dimethanol,2,3-o-isopropylidene-l-threitol,4s,5s-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl methanol,+-2,3,o-isopropylidene-l-threitol,pubchem19000,2,3-o-isoproylidene-l-threitol,1,3-dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4s,5s,2-o,3-o-isopropylidene-l-threitol,oi-2,3-o-isopropylidene-l-threitol |
| IUPAC Name | [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | INVRLGIKFANLFP-WDSKDSINSA-N |
| Molecular Formula | C7H14O4 |
4-Acetyl-4'-methylbiphenyl 98.0+%, TCI America™
CAS: 5748-38-9 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00191374 InChI Key: GNIQQKORSMFYPE-UHFFFAOYSA-N Synonym: 4-Acetyl-4′C-methyldiphenyl PubChem CID: 4301905 IUPAC Name: 1-[4-(4-methylphenyl)phenyl]ethanone SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 4301905 |
|---|---|
| CAS | 5748-38-9 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00191374 |
| SMILES | CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4-Acetyl-4′C-methyldiphenyl |
| IUPAC Name | 1-[4-(4-methylphenyl)phenyl]ethanone |
| InChI Key | GNIQQKORSMFYPE-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
Ethyl (3-Methoxybenzoyl)acetate 98.0+%, TCI America™
CAS: 27834-99-7 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00086704 InChI Key: FDPPVAYPZOORBP-UHFFFAOYSA-N Synonym: (3-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(3-Methoxyphenyl)-3-oxopropionate, 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester PubChem CID: 2759696 IUPAC Name: ethyl 3-(3-methoxyphenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC(OC)=CC=C1
| PubChem CID | 2759696 |
|---|---|
| CAS | 27834-99-7 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00086704 |
| SMILES | CCOC(=O)CC(=O)C1=CC(OC)=CC=C1 |
| Synonym | (3-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(3-Methoxyphenyl)-3-oxopropionate, 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(3-methoxyphenyl)-3-oxopropanoate |
| InChI Key | FDPPVAYPZOORBP-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Dibenzo-24-crown 8-Ether 98.0+%, TCI America™
CAS: 14174-09-5 Molecular Formula: C24H32O8 Molecular Weight (g/mol): 448.51 MDL Number: MFCD00005101 InChI Key: UNTITLLXXOKDTB-UHFFFAOYSA-N PubChem CID: 84238 IUPAC Name: 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene SMILES: C1COCCOC2=CC=CC=C2OCCOCCOCCOC2=CC=CC=C2OCCO1
| PubChem CID | 84238 |
|---|---|
| CAS | 14174-09-5 |
| Molecular Weight (g/mol) | 448.51 |
| MDL Number | MFCD00005101 |
| SMILES | C1COCCOC2=CC=CC=C2OCCOCCOCCOC2=CC=CC=C2OCCO1 |
| IUPAC Name | 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene |
| InChI Key | UNTITLLXXOKDTB-UHFFFAOYSA-N |
| Molecular Formula | C24H32O8 |